N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethylheptanamide;hydrochloride

C16H31ClN2O — CID 119456810

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethylheptanamide;hydrochloride
SMILESCCCCC(CC)CC(=O)NC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-3-5-6-12(4-2)9-16(19)18-15-10-13-7-8-14(11-15)17-13;/h12-15,17H,3-11H2,1-2H3,(H,18,19);1H
InChIKeyUTGSLJSJONLMFD-UHFFFAOYSA-N
MW302.89 g/mol
LogP3.41
Rot. Bonds7

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethylheptanamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethylheptanamide;hydrochloride (PubChem CID 119456810) has the molecular formula C16H31ClN2O and a molecular weight of 302.89 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethylheptanamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethylheptanamide;hydrochloride
PubChem CID119456810
Molecular FormulaC16H31ClN2O
Molecular Weight302.89 g/mol
Exact Mass302.21
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethylheptanamide;hydrochloride
SMILESCCCCC(CC)CC(=O)NC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-3-5-6-12(4-2)9-16(19)18-15-10-13-7-8-14(11-15)17-13;/h12-15,17H,3-11H2,1-2H3,(H,18,19);1H
InChIKeyUTGSLJSJONLMFD-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.89
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethylhexanamide
CID 61233106
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride
CID 119457462
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dimethylpentanamide;hydrochloride
CID 119459568
N-(8-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 61233297
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride
CID 119455472
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propylsulfanylacetamide;hydrochloride
CID 119456893
N-[2-(aminomethyl)cyclopentyl]-3-ethylheptanamide;hydrochloride
CID 119602350
N-(8-azabicyclo[3.2.1]octan-3-yl)-N'-propan-2-ylpentanediamide;hydrochloride
CID 119456671
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethylsulfanyl-3-methylbutanamide;hydrochloride
CID 119459618
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-benzyl-4-phenylbutanamide
CID 119457922
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119455659
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanylacetamide;hydrochloride
CID 119459254

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethylheptanamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethylheptanamide;hydrochloride (CID 119456810) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethylheptanamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethylheptanamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethylheptanamide;hydrochloride is CCCCC(CC)CC(=O)NC1CC2CCC(C1)N2.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethylheptanamide;hydrochloride?
The InChIKey is UTGSLJSJONLMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O.ClH/c1-3-5-6-12(4-2)9-16(19)18-15-10-13-7-8-14(11-15)17-13;/h12-15,17H,3-11H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethylheptanamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethylheptanamide;hydrochloride has a molecular weight of 302.89 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethylheptanamide;hydrochloride is sourced from PubChem (CID 119456810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).